3-[2-cyanoethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile

Systemtic Name: 3-[2-cyanoethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Openeye Name: 3-[2-cyanoethyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propanenitrile CAS Name: 3-[2-cyanoethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile IUPAC Name: 3-[2-cyanoethyl-[(4-cyclopropyl-3-pyridin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]amino]propanenitrile Traditional Name: 3-[2-cyanoethyl-[[4-cyclopropyl-3-(4-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]propionitrile Formula: C17H19N7S MolecularWeight: 353.44466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=NC=C3

Isomeric SMILES

C1CC1N2C(=NN(C2=S)CN(CCC#N)CCC#N)C3=CC=NC=C3

InChI

InChI=1S/C17H19N7S/c18-7-1-11-22(12-2-8-19)13-23-17(25)24(15-3-4-15)16(21-23)14-5-9-20-10-6-14/h5-6,9-10,15H,1-4,11-13H2